N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C23H19ClF3N5O2 — CID 134178522

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
InChIInChI=1S/C23H19ClF3N5O2/c1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33)
InChIKeyJDNRBENRMDAUBB-UHFFFAOYSA-N
MW489.89 g/mol
LogP5.01
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 134178522) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID134178522
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F
InChIInChI=1S/C23H19ClF3N5O2/c1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33)
InChIKeyJDNRBENRMDAUBB-UHFFFAOYSA-N
XLogP5.01
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 134178522) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1oc(Cc2ccc3ncc(Cl)cc3c2)nc1C(F)(F)F.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is JDNRBENRMDAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c1-11-5-18(28)31-12(2)16(11)10-30-22(33)20-21(23(25,26)27)32-19(34-20)7-13-3-4-17-14(6-13)8-15(24)9-29-17/h3-6,8-9H,7,10H2,1-2H3,(H2,28,31)(H,30,33).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 489.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134178522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).